(2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone

C20H16F4N2O2 — CID 134788460

IUPAC(2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC2(CC(c3cccc(C(F)(F)F)c3)=NO2)C1
InChIInChI=1S/C20H16F4N2O2/c21-16-7-2-1-6-15(16)18(27)26-9-8-19(12-26)11-17(25-28-19)13-4-3-5-14(10-13)20(22,23)24/h1-7,10H,8-9,11-12H2
InChIKeyGEIORJNNPDYTFR-UHFFFAOYSA-N
MW392.35 g/mol
LogP4.25
Rot. Bonds2

About (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone

(2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone (PubChem CID 134788460) has the molecular formula C20H16F4N2O2 and a molecular weight of 392.35 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone
PubChem CID134788460
Molecular FormulaC20H16F4N2O2
Molecular Weight392.35 g/mol
Exact Mass392.11
IUPAC Name(2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone
SMILESO=C(c1ccccc1F)N1CCC2(CC(c3cccc(C(F)(F)F)c3)=NO2)C1
InChIInChI=1S/C20H16F4N2O2/c21-16-7-2-1-6-15(16)18(27)26-9-8-19(12-26)11-17(25-28-19)13-4-3-5-14(10-13)20(22,23)24/h1-7,10H,8-9,11-12H2
InChIKeyGEIORJNNPDYTFR-UHFFFAOYSA-N
XLogP4.25
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenyl-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]methanone
CID 134788212
2-Phenyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]ethanone
CID 134789218
(4-Tert-butylphenyl)-[3-(2-fluorophenyl)-7-propan-2-yl-1-oxa-2,7,8-triazaspiro[4.4]non-2-en-8-yl]methanone
CID 46904984
(4-Tert-butylphenyl)-[7-propan-2-yl-3-[2-(trifluoromethyl)phenyl]-1-oxa-2,7,8-triazaspiro[4.4]non-2-en-8-yl]methanone
CID 46904986
7-[(4-Fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134789172
(4-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134791614
[4-(Trifluoromethyl)phenyl]-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134793533
2-Phenyl-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134800806
(2-Methylphenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134800960
(4-Chlorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803050
2-(4-Fluorophenyl)-1-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]ethanone
CID 134803142
(2-Fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]methanone
CID 134803947

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone (CID 134788460) is (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone is O=C(c1ccccc1F)N1CCC2(CC(c3cccc(C(F)(F)F)c3)=NO2)C1.
What is the InChIKey of (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone?
The InChIKey is GEIORJNNPDYTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O2/c21-16-7-2-1-6-15(16)18(27)26-9-8-19(12-26)11-17(25-28-19)13-4-3-5-14(10-13)20(22,23)24/h1-7,10H,8-9,11-12H2.
What are the key properties of (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone?
(2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone has a molecular weight of 392.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]methanone is sourced from PubChem (CID 134788460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).